(1R)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine

C23H25NO — CID 29186393

IUPAC(1R)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
SMILESCc1ccc(COc2ccc(CN[C@H](C)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H25NO/c1-18-8-10-21(11-9-18)17-25-23-14-12-20(13-15-23)16-24-19(2)22-6-4-3-5-7-22/h3-15,19,24H,16-17H2,1-2H3/t19-/m1/s1
InChIKeyIBAMBBVDISQPPU-LJQANCHMSA-N
MW331.46 g/mol
LogP5.42
Rot. Bonds7

About (1R)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine

(1R)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine (PubChem CID 29186393) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is (1R)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
PubChem CID29186393
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name(1R)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
SMILESCc1ccc(COc2ccc(CN[C@H](C)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H25NO/c1-18-8-10-21(11-9-18)17-25-23-14-12-20(13-15-23)16-24-19(2)22-6-4-3-5-7-22/h3-15,19,24H,16-17H2,1-2H3/t19-/m1/s1
InChIKeyIBAMBBVDISQPPU-LJQANCHMSA-N
XLogP5.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 22483118
(1S)-1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 113263052
(1S)-1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 7145250
N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride
CID 15945718
(1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine
CID 927372
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 17054239
(1R)-1-(4-methylphenyl)-N-[(4-propoxyphenyl)methyl]ethanamine
CID 81347006
N-[1-[4-[(4-methylphenyl)methoxy]phenyl]ethyl]propan-1-amine
CID 43279374
1-[4-(3-methylbutoxy)phenyl]-N-[(4-methylphenyl)methyl]ethanamine
CID 54804064
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
CID 17054825
(1R)-N-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 51993062
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine (CID 29186393) is (1R)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine is Cc1ccc(COc2ccc(CN[C@H](C)c3ccccc3)cc2)cc1.
What is the InChIKey of (1R)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine?
The InChIKey is IBAMBBVDISQPPU-LJQANCHMSA-N. The full InChI is InChI=1S/C23H25NO/c1-18-8-10-21(11-9-18)17-25-23-14-12-20(13-15-23)16-24-19(2)22-6-4-3-5-7-22/h3-15,19,24H,16-17H2,1-2H3/t19-/m1/s1.
What are the key properties of (1R)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine?
(1R)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine has a molecular weight of 331.46 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine is sourced from PubChem (CID 29186393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).